CID 2774120

2,3-difluoro-4-methoxyphenol

Structural Information

Molecular Formula
C7H6F2O2
SMILES
COC1=C(C(=C(C=C1)O)F)F
InChI
InChI=1S/C7H6F2O2/c1-11-5-3-2-4(10)6(8)7(5)9/h2-3,10H,1H3
InChIKey
CKKAZWYLHGNVDZ-UHFFFAOYSA-N
Compound name
2,3-difluoro-4-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

104
Patents

160.03358 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.04086 125.0
[M+Na]+ 183.02280 135.7
[M-H]- 159.02630 125.9
[M+NH4]+ 178.06740 145.9
[M+K]+ 198.99674 133.7
[M+H-H2O]+ 143.03084 118.6
[M+HCOO]- 205.03178 147.1
[M+CH3COO]- 219.04743 175.6
[M+Na-2H]- 181.00825 130.7
[M]+ 160.03303 124.1
[M]- 160.03413 124.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe